3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one)

C106H83BrCl8N12O12 — CID 157466910

About 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one)

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one) (PubChem CID 157466910) has the molecular formula C106H83BrCl8N12O12 and a molecular weight of 2080.43 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one).

Molecular Properties

• Compound Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one)
• PubChem CID: 157466910
• Molecular Formula: C106H83BrCl8N12O12
• Molecular Weight: 2080.43 g/mol
• Exact Mass: 2074.29
• IUPAC Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one)
• SMILES: Cc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)c(Cl)c1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.Cc1cccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)c1.O=C(CCc1cc(-c2ccccc2Br)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccccc2Cl)no1)c1cccnc1Cl
• InChI: InChI=1S/C18H14Cl2N2O2.3C18H15ClN2O2.C17H12BrClN2O2.C17H12Cl2N2O2/c1-11-4-6-13(15(19)9-11)16-10-12(24-22-16)5-7-17(23)14-3-2-8-21-18(14)20;1-12-4-2-5-13(10-12)16-11-14(23-21-16)7-8-17(22)15-6-3-9-20-18(15)19;2*1-12-4-6-13(7-5-12)16-11-14(23-21-16)8-9-17(22)15-3-2-10-20-18(15)19;2*18-14-6-2-1-4-12(14)15-10-11(23-21-15)7-8-16(22)13-5-3-9-20-17(13)19/h2-4,6,8-10H,5,7H2,1H3;2-6,9-11H,7-8H2,1H3;2*2-7,10-11H,8-9H2,1H3;2*1-6,9-10H,7-8H2
• InChIKey: BUOXKUXHBRYQMO-UHFFFAOYSA-N
• XLogP: 28.54
• TPSA: 335.94 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.43
LogP ≤ 5	28.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one)?

The IUPAC name of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one) (CID 157466910) is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one).

What is the SMILES notation for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one)?

The canonical SMILES for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one) is Cc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)c(Cl)c1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)cc1.Cc1cccc(-c2cc(CCC(=O)c3cccnc3Cl)on2)c1.O=C(CCc1cc(-c2ccccc2Br)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccccc2Cl)no1)c1cccnc1Cl.

What is the InChIKey of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one)?

The InChIKey is BUOXKUXHBRYQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2.3C18H15ClN2O2.C17H12BrClN2O2.C17H12Cl2N2O2/c1-11-4-6-13(15(19)9-11)16-10-12(24-22-16)5-7-17(23)14-3-2-8-21-18(14)20;1-12-4-2-5-13(10-12)16-11-14(23-21-16)7-8-17(22)15-6-3-9-20-18(15)19;2*1-12-4-6-13(7-5-12)16-11-14(23-21-16)8-9-17(22)15-3-2-10-20-18(15)19;2*18-14-6-2-1-4-12(14)15-10-11(23-21-15)7-8-16(22)13-5-3-9-20-17(13)19/h2-4,6,8-10H,5,7H2,1H3;2-6,9-11H,7-8H2,1H3;2*2-7,10-11H,8-9H2,1H3;2*1-6,9-10H,7-8H2.

What are the key properties of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one)?

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one) has a molecular weight of 2080.43 g/mol, XLogP of 28.54, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;bis(1-(2-chloro-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one) is sourced from PubChem (CID 157466910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).